SCHEMBL12823834

SCHEMBL12823834

C=CCOc1ccc(OCC2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.34
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ HTR2C P28335 4/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ CNR2 P34972 6/20 0.32
▸ HTR2B P41595 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ FFAR1 O14842 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12717146 1.00 PDE4D (0.34) PDE4DALOX5APFEN1HTR2CHTR2A
SCHEMBL12821182 0.94 HTR2C (0.34) ALOX5APFEN1HTR2CHTR2AHTR2B
SCHEMBL12823351 0.91 ALOX5AP (0.34) ALOX5APFEN1CNR2CNR1
SCHEMBL12823832 0.91 ALOX5AP (0.34) ALOX5APFEN1CNR2CNR1
SCHEMBL12823558 0.90 PDE4D (0.38) PDE4DFFAR1
SCHEMBL12823886 0.90 FFAR1 (0.39) FFAR1
SCHEMBL12821799 0.90 PDE4D (0.38) PDE4DFFAR1
SCHEMBL12821878 0.89 CNR2 (0.36) PDE4DALOX5APFEN1CNR2CNR1
SCHEMBL12823880 0.89 CNR2 (0.36) PDE4DALOX5APFEN1CNR2CNR1
SCHEMBL12718619 0.89 HTR2A (0.30) HTR2CHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PDE4D 2884/4885ALOX5AP 1673/4885FEN1 3340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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